1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine

C21H27NO2 — CID 60597635

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc(CNC(c2ccc3c(c2)OCCO3)C(C)C)c(C)c1
InChIInChI=1S/C21H27NO2/c1-14(2)21(22-13-18-6-5-15(3)11-16(18)4)17-7-8-19-20(12-17)24-10-9-23-19/h5-8,11-12,14,21-22H,9-10,13H2,1-4H3
InChIKeyMYGPLSSJXXTPSB-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.56
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 60597635) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID60597635
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc(CNC(c2ccc3c(c2)OCCO3)C(C)C)c(C)c1
InChIInChI=1S/C21H27NO2/c1-14(2)21(22-13-18-6-5-15(3)11-16(18)4)17-7-8-19-20(12-17)24-10-9-23-19/h5-8,11-12,14,21-22H,9-10,13H2,1-4H3
InChIKeyMYGPLSSJXXTPSB-UHFFFAOYSA-N
XLogP4.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]methanamine
CID 28643467
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 9258530
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953665
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine
CID 60597759
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946054
(1S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 51924253
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
N-[(2-butylpyrimidin-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine
CID 46957704
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7669743
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 31560309
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 39983366
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 41405020

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine (CID 60597635) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine is Cc1ccc(CNC(c2ccc3c(c2)OCCO3)C(C)C)c(C)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is MYGPLSSJXXTPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)21(22-13-18-6-5-15(3)11-16(18)4)17-7-8-19-20(12-17)24-10-9-23-19/h5-8,11-12,14,21-22H,9-10,13H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 325.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 60597635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).